1.0 2010-04-08 22:04:28 UTC 2025-11-18 22:16:12 UTC FDB000166 Quercetin 3-O-glucosyl-rhamnosyl-galactoside Hyperin 6''-[glucosyl-(1->3)-rhamnoside], also known as Q-glu-rha-gal or quercetin-3-glu-rha-gal, is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Hyperin 6''-[glucosyl-(1->3)-rhamnoside] is soluble (in water) and a very weakly acidic compound (based on its pKa). Hyperin 6''-[glucosyl-(1->3)-rhamnoside] can be found in tea, which makes hyperin 6''-[glucosyl-(1->3)-rhamnoside] a potential biomarker for the consumption of this food product. C33H40O21 772.6581 772.206208342 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 134953-93-8 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1 XEFNBVWDOQCMSG-GJHFDJSNSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.56 ALOGPS logs -1.87 ALOGPS solubility 1.04e+01 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 772.6581 ChemAxon mono_mass 772.206208342 ChemAxon smiles C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O ChemAxon formula C33H40O21 ChemAxon inchi InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1 ChemAxon inchikey XEFNBVWDOQCMSG-GJHFDJSNSA-N ChemAxon polar_surface_area 344.67 ChemAxon refractivity 172.56 ChemAxon polarizability 71.82 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 783797 Specdb::CMs 783798 Specdb::CMs 783799 Specdb::CMs 783800 Specdb::CMs 783801 Specdb::CMs 783802 Specdb::CMs 783803 Specdb::CMs 783804 Specdb::CMs 783805 Specdb::CMs 783806 Specdb::CMs 783807 Specdb::CMs 783808 Specdb::CMs 783809 Specdb::CMs 783810 Specdb::CMs 783811 Specdb::CMs 783812 Specdb::CMs 783813 Specdb::CMs 783814 Specdb::CMs 783815 Specdb::CMs 783816 Specdb::CMs 783817 Specdb::CMs 783818 Specdb::CMs 783819 Specdb::CMs 783820 Specdb::CMs 783821 Specdb::NmrOneD 32582 Specdb::NmrOneD 32583 Specdb::NmrOneD 32584 Specdb::NmrOneD 32585 Specdb::NmrOneD 32586 Specdb::NmrOneD 32587 Specdb::NmrOneD 32588 Specdb::NmrOneD 32589 Specdb::NmrOneD 32590 Specdb::NmrOneD 32591 Specdb::NmrOneD 32592 Specdb::NmrOneD 32593 Specdb::NmrOneD 32594 Specdb::NmrOneD 32595 Specdb::NmrOneD 32596 Specdb::NmrOneD 32597 Specdb::NmrOneD 32598 Specdb::NmrOneD 32599 Specdb::NmrOneD 32600 Specdb::NmrOneD 32601 Specdb::MsMs 65778 Specdb::MsMs 65779 Specdb::MsMs 65780 Specdb::MsMs 123216 Specdb::MsMs 123217 Specdb::MsMs 123218 Specdb::MsMs 2799157 Specdb::MsMs 2799158 Specdb::MsMs 2799159 Specdb::MsMs 2882351 Specdb::MsMs 2882352 Specdb::MsMs 2882353 HMDB0039375 Black tea Type 1 0.657887 0.674217343 0.641556263 mg/100 g Green tea Type 1 0.657887 0.674217343 0.641556263 mg/100 g Tea Type 1 specific Camellia sinensis 4442 0.657887 0.674217343 0.641556263 mg/100 g